5I6F

Crystal structure of C-terminal variant 1 of Chaetomium thermophilum acetyl-CoA carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	97.660, 165.340, 219.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 3.600
R-factor	0.2047
Rwork	0.203
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology models of 1od2 and 5i6e
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	XDS (VERSION March 1, 2015)
Data scaling software	XSCALE (VERSION March 1, 2015)
Phasing software	PHASER (2.5.7)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	3.690
High resolution limit [Å]	3.600	3.600
Rmerge	0.145	3.850
Number of reflections	41802
<I/σ(I)>	10.61	0.97
Completeness [%]	99.7	99.9
Redundancy	12.7	13.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292.15	Hepes, Tacsimate, PEGMME5000